[Wien] Bi2Se3 atomic positions in wien2k structure file.

[McDermott Eamon John Gordon]

Crystallography.net<http://Crystallography.net> appears to have the structure you want: http://www.crystallography.net/9011965.html

Simply download the .CIF file and use 'cif2struct'.

Regards,

--
Eamon McDermott, M.Sc.
Institute of Materials Chemistry, TU Wien
eamon.mcdermott at tuwien.ac.at<mailto:eamon.mcdermott at tuwien.ac.at>
Office: +43 (1) 58801-165304
Scheduling: http://doodle.com/eamon.mcdermott

On Feb 6, 2014, at 3:35 PM, Naseem Hassan <raheskoon at gmail.com<mailto:raheskoon at gmail.com>> wrote:

Dear Users,

This is strange but what else I can do except reporting it. I am unable to download the attachment from the fallowing email which is in the archive (probably never attached).

http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08497.html

Kindly suggest me how can I make Bi2Se3 structure file ? The space group is

space group R3m (166)and structure is hexagonal. But I do not know how many atoms should

I generate for structure file and what are the positions for respective

atoms ? I would appreciate if some one help how to find position



from the official link below, in this way I will learn alot.

http://cryst.ehu.es/cgi-bin/cryst/programs/nph-wp-list?gnum=166&grha=hexagonal



Best wishes

Naseem (A beginner in wien2k code)

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